AG0002AY

1005450-55-4 | Benzenepropanamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-(trifluoromethyl)-

AG0002AY

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CAS Number	1005450-55-4
Catalog Number	AG0002AY(AGN-PC-0WAMUO)
Chemical Name	Benzenepropanamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-(trifluoromethyl)-
IUPAC Name	N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
InChI	InChI=1S/C22H20F3NO/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)26-21(27)13-12-16-6-4-9-18(14-16)22(23,24)25/h2-11,14-15H,12-13H2,1H3,(H,26,27)/t15-/m1/s1
InChI Key	GDEHAOJGPHEOSO-OAHLLOKOSA-N
MDL Number	MFCD18207041
Molecular Formula	C22H20F3NO
Molecular Weight	371.3955
SMILES	[C@@H](NC(=O)CCc1cc(C(F)(F)F)ccc1)(C)c1c2c(ccc1)cccc2
Synonyms	1005450-55-4, (R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propanamide, N-((R)-1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propanamide, C22H20F3NO, AK109488, SCHEMBL1491247, DTXSID90647721, CS-M0215, KS-00000PS6, 0226AA, MFCD18207041, ZINC85210365, AKOS016009100, DS-4352, AC-25852, AJ-126540, AX8226756, ST24035579, N-[(R)-1-(1-Naphthyl)ethyl]-3-(trifluoromethyl)benzenepropanamide, Benzenepropanamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-(trifluoromethyl)-, N-[1-(R)-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1-propanamide, N-[(1R)-1-(Naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propanamide, ACN-050709,

Complexity	492
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	371.15g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	371.403g/mol
Monoisotopic Mass	371.15g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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